2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine

C15H22FN — CID 66467441

IUPAC2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(Cc2cccc(F)c2)CCCN1
InChIInChI=1S/C15H22FN/c1-12(2)10-15(7-4-8-17-15)11-13-5-3-6-14(16)9-13/h3,5-6,9,12,17H,4,7-8,10-11H2,1-2H3
InChIKeyCLFXITAPNMSSKT-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.54
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine

2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine (PubChem CID 66467441) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
PubChem CID66467441
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(Cc2cccc(F)c2)CCCN1
InChIInChI=1S/C15H22FN/c1-12(2)10-15(7-4-8-17-15)11-13-5-3-6-14(16)9-13/h3,5-6,9,12,17H,4,7-8,10-11H2,1-2H3
InChIKeyCLFXITAPNMSSKT-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-[(3-fluorophenyl)methyl]azetidine
CID 115058779
2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 105411975
2-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine
CID 117271498
2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine
CID 115058809
6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline
CID 104688379
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine
CID 104688384
2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane
CID 114834360
2,2-bis(2-methylpropyl)pyrrolidine
CID 66465846
1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole
CID 104688365
2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine
CID 115059003
2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol
CID 115058920
2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 104688440

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine (CID 66467441) is 2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine is CC(C)CC1(Cc2cccc(F)c2)CCCN1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
The InChIKey is CLFXITAPNMSSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-12(2)10-15(7-4-8-17-15)11-13-5-3-6-14(16)9-13/h3,5-6,9,12,17H,4,7-8,10-11H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine has a molecular weight of 235.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 66467441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).